#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dvu n SER 6 N 0.00 2.98 0.19 3.14 2.88 -1.26 -4.90 113.62 116.64 3dvu n SER 6 Ca 0.00 1.19 0.04 0.00 -1.33 0.00 0.00 58.87 58.77 3dvu n SER 6 Cb 0.00 -1.50 0.42 0.00 -0.75 0.00 0.00 64.21 62.38 3dvu n SER 6 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3dvu h GLY 7 N 3.06 0.05 1.77 0.46 0.00 -2.04 -1.61 103.07 104.77 3dvu h GLY 7 Ca -0.47 -0.03 -0.12 0.00 0.00 0.00 0.00 47.33 46.70 3dvu h GLY 7 CO 0.66 0.03 -0.50 -0.84 0.00 0.00 0.00 176.54 175.90 3dvu h THR 8 N 0.05 1.35 -0.65 4.70 2.02 -1.99 -1.69 112.91 116.70 3dvu h THR 8 Ca 0.01 -1.73 -0.08 0.00 0.77 0.00 0.00 66.41 65.37 3dvu h THR 8 Cb 0.46 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 3dvu h THR 8 CO 0.03 0.52 0.07 0.22 0.37 0.00 0.00 175.52 176.73 3dvu h TYR 9 N 0.19 1.17 -0.00 3.16 5.03 -1.67 -0.48 116.97 124.37 3dvu h TYR 9 Ca 0.01 -0.18 -0.17 0.00 2.58 0.00 0.00 58.73 60.97 3dvu h TYR 9 Cb 0.95 -0.32 -0.02 0.00 1.55 0.00 0.00 36.73 38.90 3dvu h TYR 9 CO 0.02 1.00 -0.78 -1.49 -1.32 0.00 0.00 178.16 175.59 3dvu h TRP 10 N 1.01 0.09 -0.39 -3.82 4.06 -1.24 -0.62 115.95 115.04 3dvu h TRP 10 Ca 0.19 -0.04 -0.14 0.00 2.06 0.00 0.00 58.89 60.96 3dvu h TRP 10 Cb 0.48 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.62 3dvu h TRP 10 CO 0.04 0.81 -0.29 0.00 -3.56 0.00 0.00 178.44 175.44 3dvu h ALA 11 N 1.18 0.55 -0.44 1.49 0.00 -1.18 -1.89 119.26 118.98 3dvu h ALA 11 Ca -0.02 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 3dvu h ALA 11 Cb 1.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3dvu h ALA 11 CO 0.11 0.58 -0.14 1.15 0.00 0.00 0.00 179.25 180.95 3dvu h THR 12 N 0.68 1.26 -0.33 0.00 2.02 -0.98 -2.46 112.91 113.10 3dvu h THR 12 Ca 0.07 -1.23 -0.08 0.00 0.77 0.00 0.00 66.41 65.95 3dvu h THR 12 Cb 0.87 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 3dvu h THR 12 CO 0.08 0.42 -0.10 0.25 0.37 0.00 0.00 175.52 176.54 3dvu h LEU 13 N 0.73 0.66 -0.53 2.58 5.85 -0.96 -1.67 115.31 121.97 3dvu h LEU 13 Ca 0.12 -0.37 -0.12 0.00 0.84 0.00 0.00 57.88 58.34 3dvu h LEU 13 Cb 0.64 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3dvu h LEU 13 CO 0.04 0.88 -0.14 0.40 -0.34 0.00 0.00 178.44 179.28 3dvu h ILE 14 N 0.43 1.27 -0.39 4.05 2.04 -1.31 -0.73 117.51 122.87 3dvu h ILE 14 Ca 0.08 -1.31 -0.11 0.00 1.00 0.00 0.00 64.86 64.53 3dvu h ILE 14 Cb 0.60 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3dvu h ILE 14 CO 0.04 0.46 -0.17 0.74 0.00 0.00 0.00 178.15 179.21 3dvu h THR 15 N 0.90 1.28 -0.42 -0.27 2.02 -1.47 -1.00 112.91 113.94 3dvu h THR 15 Ca 0.13 -1.30 -0.12 0.00 0.77 0.00 0.00 66.41 65.89 3dvu h THR 15 Cb 0.72 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 3dvu h THR 15 CO 0.05 0.43 -0.21 0.00 0.37 0.00 0.00 175.52 176.17 3dvu h ALA 16 N 0.81 0.83 0.12 6.16 0.00 -1.27 -0.05 119.26 125.85 3dvu h ALA 16 Ca 0.09 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3dvu h ALA 16 Cb 0.72 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3dvu h ALA 16 CO 0.05 0.64 -0.06 0.35 0.00 0.00 0.00 179.25 180.24 3dvu h PHE 17 N 0.74 -0.15 -0.75 0.00 3.04 -0.97 -1.00 116.94 117.86 3dvu h PHE 17 Ca 0.10 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 3dvu h PHE 17 Cb 0.74 0.05 -0.04 0.00 2.56 0.00 0.00 35.95 39.26 3dvu h PHE 17 CO 0.04 0.08 0.44 -0.07 -2.02 0.00 0.00 178.31 176.77 3dvu h LEU 18 N -0.35 0.90 -0.41 0.59 3.38 -1.11 -1.95 115.31 116.36 3dvu h LEU 18 Ca -0.02 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3dvu h LEU 18 Cb 0.29 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3dvu h LEU 18 CO 0.03 0.70 -0.03 0.11 0.09 0.00 0.00 178.44 179.35 3dvu h LYS 19 N 1.03 0.74 -0.43 1.13 1.57 -0.86 -1.68 116.57 118.07 3dvu h LYS 19 Ca 0.27 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3dvu h LYS 19 Cb -0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3dvu h LYS 19 CO -0.05 0.84 0.25 1.15 -0.57 0.00 0.00 179.45 181.07 3dvu h THR 20 N 0.57 1.14 0.00 -0.16 2.02 -0.74 -1.52 112.91 114.23 3dvu h THR 20 Ca 0.11 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3dvu h THR 20 Cb 0.52 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3dvu h THR 20 CO 0.03 0.15 0.00 -0.37 0.37 0.00 0.00 175.52 175.69 3dvu h VAL 21 N 0.57 0.00 -0.07 3.16 -1.51 -1.38 -2.68 116.25 114.34 3dvu h VAL 21 Ca 0.15 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 3dvu h VAL 21 Cb 0.01 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 3dvu h VAL 21 CO -0.03 0.00 0.00 -1.20 -1.23 0.00 0.00 177.57 175.11 3dvu n SER 22 N -2.86 0.85 -0.47 4.19 7.64 -0.64 -4.48 113.62 117.86 3dvu n SER 22 Ca 0.03 -1.50 -0.06 0.00 1.01 0.00 0.00 58.87 58.35 3dvu n SER 22 Cb 0.40 -0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.53 3dvu n SER 22 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3dvu n LYS 23 N -0.25 -1.48 -2.25 1.43 4.76 -1.01 0.11 118.16 119.47 3dvu n LYS 23 Ca 0.17 0.66 -0.32 0.00 -2.87 0.00 0.00 58.31 55.94 3dvu n LYS 23 Cb 0.21 -4.89 -0.04 0.00 -1.84 0.00 0.00 35.03 28.47 3dvu n LYS 23 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3dvu s VAL 24 N -1.70 3.65 -0.58 -0.18 1.01 -0.62 -4.20 120.40 117.78 3dvu s VAL 24 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3dvu s VAL 24 Cb 0.00 -4.46 0.04 0.00 0.00 0.00 0.00 36.38 31.96 3dvu s VAL 24 CO 0.00 -1.34 0.77 -0.62 0.00 0.00 0.00 175.10 173.91 3dvu n GLU 25 N 8.81 1.16 -2.95 2.72 1.02 -1.26 -4.05 120.64 126.09 3dvu n GLU 25 Ca 0.38 -0.18 -0.44 0.00 -0.02 0.00 0.00 57.16 56.91 3dvu n GLU 25 Cb 0.48 -1.35 -0.03 0.00 -0.02 0.00 0.00 31.44 30.53 3dvu n GLU 25 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3dvu s GLU 26 N -0.73 3.56 0.00 3.49 -6.30 -1.26 -4.95 118.70 112.51 3dvu s GLU 26 Ca 0.03 -1.74 0.00 0.00 -2.50 0.00 0.00 54.97 50.76 3dvu s GLU 26 Cb 0.03 -4.84 0.00 0.00 0.00 0.00 0.00 34.13 29.31 3dvu s GLU 26 CO 0.01 -1.75 0.00 1.28 0.02 0.00 0.00 175.26 174.82 3dvu n LEU 27 N 6.48 0.00 0.00 2.70 4.32 -1.26 -5.02 117.00 124.22 3dvu n LEU 27 Ca 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 3dvu n LEU 27 Cb 0.49 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 3dvu n LEU 27 CO 0.50 0.00 0.00 0.47 -1.22 0.00 0.00 177.39 177.14 3dvu n ASP 28 N 0.00 1.99 0.00 -1.43 9.92 -1.26 -5.07 116.55 120.69 3dvu n ASP 28 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3dvu n ASP 28 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3dvu n ASP 28 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3dvu n VAL 30 N 0.00 0.00 -2.72 0.00 0.31 -1.26 -5.16 118.33 109.50 3dvu n VAL 30 Ca 0.00 -2.21 -0.23 0.00 -0.01 0.00 0.00 64.34 61.90 3dvu n VAL 30 Cb 0.00 -0.01 0.10 0.00 -0.91 0.00 0.00 33.84 33.02 3dvu n VAL 30 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3dvu s ASP 31 N -4.25 4.50 0.15 4.52 -0.00 -1.26 -4.98 116.67 115.34 3dvu s ASP 31 Ca 0.31 -0.55 -0.13 0.00 -0.00 0.00 0.00 52.55 52.18 3dvu s ASP 31 Cb -0.02 0.16 0.03 0.00 -0.00 0.00 0.00 42.92 43.09 3dvu s ASP 31 CO 0.20 -1.76 1.67 -1.28 -0.00 0.00 0.00 175.17 173.99 3dvu h SER 32 N -0.36 0.76 -0.74 0.27 0.87 -2.01 -2.52 113.55 109.82 3dvu h SER 32 Ca -0.34 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 59.98 3dvu h SER 32 Cb 1.27 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 63.00 3dvu h SER 32 CO 0.39 0.78 0.37 0.00 -0.53 0.00 0.00 176.83 177.83 3dvu h ALA 33 N 1.01 0.95 -0.16 6.23 0.00 -2.00 -1.00 119.26 124.29 3dvu h ALA 33 Ca 0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3dvu h ALA 33 Cb 0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3dvu h ALA 33 CO -0.00 0.50 -0.01 0.28 0.00 0.00 0.00 179.25 180.02 3dvu h VAL 34 N 1.03 1.26 -0.35 0.00 2.07 -1.95 -2.94 116.25 115.38 3dvu h VAL 34 Ca 0.25 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.92 3dvu h VAL 34 Cb 0.10 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3dvu h VAL 34 CO -0.03 0.26 0.23 -0.07 0.02 0.00 0.00 177.57 177.97 3dvu h LEU 35 N 0.02 0.36 -0.55 2.57 3.38 -1.20 -0.99 115.31 118.90 3dvu h LEU 35 Ca 0.04 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3dvu h LEU 35 Cb 0.39 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3dvu h LEU 35 CO 0.01 0.26 -0.47 -0.37 0.09 0.00 0.00 178.44 177.96 3dvu h VAL 36 N 0.43 0.95 -0.13 1.22 -1.51 -1.13 -2.68 116.25 113.40 3dvu h VAL 36 Ca 0.13 -1.91 -0.20 0.00 -1.23 0.00 0.00 66.70 63.50 3dvu h VAL 36 Cb 0.01 2.17 0.01 0.00 -2.13 0.00 0.00 31.29 31.35 3dvu h VAL 36 CO -0.03 0.46 -0.68 0.44 -1.23 0.00 0.00 177.57 176.53 3dvu h ASP 37 N 0.00 0.82 -0.83 4.19 3.32 -1.11 -2.16 116.42 120.66 3dvu h ASP 37 Ca -0.00 -0.64 0.06 0.00 0.02 0.00 0.00 57.03 56.47 3dvu h ASP 37 Cb 1.13 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 40.38 3dvu h ASP 37 CO 0.06 1.33 0.50 0.58 -1.72 0.00 0.00 179.24 179.99 3dvu h VAL 38 N 0.37 1.02 -0.28 -1.35 2.07 -1.19 -1.15 116.25 115.75 3dvu h VAL 38 Ca -0.05 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3dvu h VAL 38 Cb 1.32 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3dvu h VAL 38 CO 0.14 0.17 0.16 -1.28 0.02 0.00 0.00 177.57 176.78 3dvu h SER 39 N 0.91 0.33 -0.48 0.57 0.87 -1.40 0.51 113.55 114.87 3dvu h SER 39 Ca 0.36 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.86 3dvu h SER 39 Cb 0.19 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3dvu h SER 39 CO -0.18 0.29 0.26 0.11 -0.53 0.00 0.00 176.83 176.79 3dvu h LYS 40 N 0.35 0.66 -0.40 2.24 1.57 -0.72 -1.38 116.57 118.89 3dvu h LYS 40 Ca 0.10 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 3dvu h LYS 40 Cb 0.02 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3dvu h LYS 40 CO -0.02 0.52 -0.04 0.82 -0.57 0.00 0.00 179.45 180.16 3dvu h ILE 41 N 0.63 1.23 -0.45 1.86 2.04 -0.98 -0.40 117.51 121.44 3dvu h ILE 41 Ca 0.17 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 65.01 3dvu h ILE 41 Cb 0.04 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3dvu h ILE 41 CO -0.03 0.33 0.11 0.40 0.00 0.00 0.00 178.15 178.96 3dvu h ILE 42 N 0.62 1.24 -0.62 -0.67 2.04 -0.54 -0.36 117.51 119.22 3dvu h ILE 42 Ca 0.12 -0.82 -0.05 0.00 1.00 0.00 0.00 64.86 65.10 3dvu h ILE 42 Cb 0.44 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3dvu h ILE 42 CO 0.02 0.29 0.17 0.74 0.00 0.00 0.00 178.15 179.37 3dvu h THR 43 N 0.60 1.24 -0.22 -0.27 2.02 -0.83 -2.53 112.91 112.92 3dvu h THR 43 Ca 0.14 -0.85 -0.17 0.00 0.77 0.00 0.00 66.41 66.31 3dvu h THR 43 Cb 0.33 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3dvu h THR 43 CO 0.00 0.32 -0.52 -0.07 0.37 0.00 0.00 175.52 175.63 3dvu h LEU 44 N 0.92 0.83 -1.70 2.58 3.38 -0.90 -2.52 115.31 117.90 3dvu h LEU 44 Ca 0.20 -0.56 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 3dvu h LEU 44 Cb 0.30 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3dvu h LEU 44 CO -0.00 1.24 -0.16 0.71 0.09 0.00 0.00 178.44 180.32 3dvu h THR 45 N 0.46 0.65 0.08 0.22 1.35 -0.91 0.18 112.91 114.94 3dvu h THR 45 Ca -0.00 -0.71 -0.22 0.00 -0.55 0.00 0.00 66.41 64.93 3dvu h THR 45 Cb 1.13 1.45 0.02 0.00 -1.73 0.00 0.00 68.15 69.02 3dvu h THR 45 CO 0.11 0.16 -0.90 1.56 -0.25 0.00 0.00 175.52 176.20 3dvu h GLN 46 N 0.00 0.47 -0.72 4.72 4.20 -1.40 -1.53 115.11 120.84 3dvu h GLN 46 Ca -0.00 -0.61 -0.06 0.00 0.06 0.00 0.00 58.65 58.04 3dvu h GLN 46 Cb 0.44 0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 3dvu h GLN 46 CO 0.02 1.25 0.22 0.93 -0.67 0.00 0.00 178.83 180.58 3dvu h GLU 47 N -0.02 1.12 0.57 1.46 5.08 -1.09 -1.81 114.58 119.89 3dvu h GLU 47 Ca -0.14 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 57.96 3dvu h GLU 47 Cb 1.63 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 30.72 3dvu h GLU 47 CO 0.17 0.96 -0.28 0.35 -1.00 0.00 0.00 179.01 179.21 3dvu h PHE 48 N 1.08 -0.73 -1.00 4.33 3.04 -0.66 -2.42 116.94 120.58 3dvu h PHE 48 Ca 0.23 -0.02 0.23 0.00 3.98 0.00 0.00 57.97 62.40 3dvu h PHE 48 Cb 0.31 0.24 -0.12 0.00 2.56 0.00 0.00 35.95 38.94 3dvu h PHE 48 CO 0.02 -0.45 0.59 -0.09 -2.02 0.00 0.00 178.31 176.37 3dvu h ARG 49 N -0.78 0.60 -0.29 1.11 9.65 -1.12 0.17 114.38 123.72 3dvu h ARG 49 Ca -0.08 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.70 3dvu h ARG 49 Cb 0.60 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.03 3dvu h ARG 49 CO 0.13 0.39 -0.11 -0.09 2.80 0.00 0.00 179.97 183.09 3dvu h ARG 50 N 0.61 0.48 -0.21 0.20 1.12 -1.00 -0.81 114.38 114.78 3dvu h ARG 50 Ca 0.63 -0.13 -0.21 0.00 -1.11 0.00 0.00 59.98 59.16 3dvu h ARG 50 Cb 1.16 -0.06 0.01 0.00 -0.01 0.00 0.00 29.97 31.07 3dvu h ARG 50 CO -0.46 0.60 -0.69 0.45 -3.11 0.00 0.00 179.97 176.76 3dvu h HIS 51 N 0.45 1.10 -0.68 2.20 3.86 -0.24 -2.27 115.15 119.58 3dvu h HIS 51 Ca 0.09 -0.45 0.02 0.00 -1.16 0.00 0.00 60.37 58.87 3dvu h HIS 51 Cb 0.47 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.71 3dvu h HIS 51 CO 0.01 1.28 0.43 -0.92 0.86 0.00 0.00 177.93 179.60 3dvu h TYR 52 N 0.60 0.81 -0.46 2.45 3.20 -0.76 -2.39 116.97 120.43 3dvu h TYR 52 Ca -0.03 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 3dvu h TYR 52 Cb 1.31 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 3dvu h TYR 52 CO 0.08 0.48 -0.19 -0.44 -1.64 0.00 0.00 178.16 176.45 3dvu h ASP 53 N 0.86 0.93 0.34 -2.11 3.32 -1.14 0.43 116.42 119.04 3dvu h ASP 53 Ca 0.26 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3dvu h ASP 53 Cb -0.02 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 3dvu h ASP 53 CO -0.09 1.09 -0.06 0.28 -1.72 0.00 0.00 179.24 178.74 3dvu h SER 54 N 0.80 0.00 0.00 6.45 0.02 -1.01 -3.20 113.55 116.61 3dvu h SER 54 Ca 0.11 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.74 3dvu h SER 54 Cb 0.74 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.22 3dvu h SER 54 CO 0.06 0.06 -2.23 0.52 -1.14 0.00 0.00 176.83 174.11 3dvu n VAL 55 N -3.46 1.23 -4.37 2.27 0.31 -0.94 -5.05 118.33 108.32 3dvu n VAL 55 Ca -0.02 -0.62 -0.30 0.00 -0.01 0.00 0.00 64.34 63.39 3dvu n VAL 55 Cb 0.19 -0.88 -0.11 0.00 -0.91 0.00 0.00 33.84 32.13 3dvu n VAL 55 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3dvu s TYR 56 N -2.43 2.67 0.03 3.52 2.02 0.12 -5.06 117.35 118.22 3dvu s TYR 56 Ca -0.18 -0.19 -0.17 0.00 -0.37 0.00 0.00 57.07 56.15 3dvu s TYR 56 Cb 0.06 -1.44 -0.27 0.00 -0.40 0.00 0.00 41.96 39.91 3dvu s TYR 56 CO 0.62 0.37 1.08 -0.09 -1.57 0.00 0.00 175.55 175.96 3dvu h ARG 57 N 3.96 0.53 -6.96 -0.62 2.43 -1.88 -3.44 114.38 108.41 3dvu h ARG 57 Ca -0.49 -0.67 -0.46 0.00 -0.81 0.00 0.00 59.98 57.56 3dvu h ARG 57 Cb 1.16 0.21 0.05 0.00 -0.42 0.00 0.00 29.97 30.98 3dvu h ARG 57 CO 0.50 1.28 0.05 0.00 -1.51 0.00 0.00 179.97 180.29 3dvu s ALA 58 N -3.02 3.57 0.07 2.80 0.00 -1.26 -5.08 121.76 118.85 3dvu s ALA 58 Ca -0.11 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.82 3dvu s ALA 58 Cb 0.04 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.85 3dvu s ALA 58 CO 0.89 -0.79 0.02 -0.40 0.00 0.00 0.00 175.76 175.48 3dvu n ASP 59 N -2.46 1.90 0.26 0.00 5.75 -1.26 -4.94 116.55 115.80 3dvu n ASP 59 Ca 0.06 -1.30 0.12 0.00 -0.01 0.00 0.00 54.79 53.65 3dvu n ASP 59 Cb 0.59 0.03 0.71 0.00 -1.03 0.00 0.00 41.12 41.42 3dvu n ASP 59 CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 3dvu h TYR 60 N 0.88 0.00 0.00 2.11 0.05 -2.01 -3.40 116.97 114.59 3dvu h TYR 60 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.72 3dvu h TYR 60 Cb 0.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.92 3dvu h TYR 60 CO 0.00 0.12 0.00 0.41 -1.05 0.00 0.00 178.16 177.64 3dvu n GLY 61 N -0.80 -0.01 0.25 3.88 0.00 -1.26 -2.06 105.19 105.19 3dvu n GLY 61 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 3dvu n GLY 61 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dvu h PRO 62 N 0.00 0.33 0.00 1.61 0.11 -2.04 -2.29 132.00 129.73 3dvu h PRO 62 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3dvu h PRO 62 Cb 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.03 3dvu h PRO 62 CO 0.00 0.22 0.00 0.00 -0.21 0.00 0.00 178.00 178.01 3dvu n ALA 63 N -2.56 1.67 -0.14 -0.75 0.00 -0.87 -3.39 120.51 114.46 3dvu n ALA 63 Ca 0.12 0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.69 3dvu n ALA 63 Cb 0.37 -1.35 0.21 0.00 0.00 0.00 0.00 19.45 18.68 3dvu n ALA 63 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dvu n LEU 64 N -2.04 3.29 -0.23 0.00 4.77 -0.86 -4.57 117.00 117.36 3dvu n LEU 64 Ca 0.03 -1.87 0.03 0.00 -0.03 0.00 0.00 56.01 54.16 3dvu n LEU 64 Cb 0.22 -0.31 0.15 0.00 -2.33 0.00 0.00 43.42 41.15 3dvu n LEU 64 CO 0.18 0.80 0.98 0.07 -1.33 0.00 0.00 177.39 178.09 3dvu h LYS 65 N 3.12 0.38 -1.84 3.23 2.10 -1.62 -2.10 116.57 119.84 3dvu h LYS 65 Ca 0.00 -0.02 -0.71 0.00 -2.00 0.00 0.00 60.65 57.92 3dvu h LYS 65 Cb 0.83 -0.09 -0.32 0.00 -0.90 0.00 0.00 32.23 31.76 3dvu h LYS 65 CO 0.00 0.25 0.42 0.09 -2.00 0.00 0.00 179.45 178.21 3dvu n ASN 66 N -5.03 6.51 0.21 7.07 4.13 -1.26 -4.74 115.26 122.15 3dvu n ASN 66 Ca 0.12 -3.79 0.05 0.00 1.68 0.00 0.00 54.58 52.63 3dvu n ASN 66 Cb 0.36 -0.85 0.46 0.00 -1.54 0.00 0.00 39.78 38.21 3dvu n ASN 66 CO 0.00 0.00 0.00 4.11 0.28 0.00 0.00 177.26 181.65 3dvu h TRP 67 N 2.88 0.00 0.00 3.10 5.08 -1.67 -1.12 115.95 124.23 3dvu h TRP 67 Ca 0.47 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.43 3dvu h TRP 67 Cb 0.35 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.51 3dvu h TRP 67 CO 1.05 0.25 -0.04 0.87 -1.28 0.00 0.00 178.44 179.30 3dvu h LYS 68 N 0.00 0.00 0.00 0.12 6.56 -1.86 -1.13 116.57 120.26 3dvu h LYS 68 Ca -0.00 0.00 -0.24 0.00 -1.06 0.00 0.00 60.65 59.34 3dvu h LYS 68 Cb 0.46 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.08 3dvu h LYS 68 CO 0.03 0.04 -1.92 -2.13 -2.06 0.00 0.00 179.45 173.41 3dvu n ARG 69 N -3.31 1.26 -0.00 3.15 0.63 -0.96 -4.79 116.66 112.64 3dvu n ARG 69 Ca -0.02 0.04 0.10 0.00 -0.92 0.00 0.00 57.85 57.05 3dvu n ARG 69 Cb 0.18 -1.33 -0.13 0.00 0.45 0.00 0.00 32.46 31.63 3dvu n ARG 69 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3dvu n ASP 70 N -2.70 0.72 -0.31 6.15 8.00 -0.46 -4.66 116.55 123.29 3dvu n ASP 70 Ca -0.25 -0.64 0.15 0.00 0.71 0.00 0.00 54.79 54.76 3dvu n ASP 70 Cb 0.88 1.32 0.31 0.00 -0.02 0.00 0.00 41.12 43.61 3dvu n ASP 70 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3dvu h LEU 71 N 0.00 -0.15 -1.39 0.64 5.85 -1.42 0.11 115.31 118.95 3dvu h LEU 71 Ca 0.00 0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 3dvu h LEU 71 Cb 0.63 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3dvu h LEU 71 CO 0.00 -0.25 -0.31 0.28 -0.34 0.00 0.00 178.44 177.82 3dvu h SER 72 N 0.12 0.00 0.34 1.25 0.02 -1.84 -1.63 113.55 111.80 3dvu h SER 72 Ca 0.59 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 61.29 3dvu h SER 72 Cb 1.24 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.78 3dvu h SER 72 CO -0.76 0.31 -1.02 0.11 -1.14 0.00 0.00 176.83 174.33 3dvu h LYS 73 N 0.00 0.43 -0.17 3.45 1.57 -1.12 -1.22 116.57 119.50 3dvu h LYS 73 Ca -0.00 -0.51 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 3dvu h LYS 73 Cb 0.56 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3dvu h LYS 73 CO 0.04 1.16 0.08 1.25 -0.57 0.00 0.00 179.45 181.42 3dvu h LEU 74 N 0.22 0.22 -0.44 2.94 5.85 -0.92 0.96 115.31 124.15 3dvu h LEU 74 Ca -0.10 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 3dvu h LEU 74 Cb 1.68 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.63 3dvu h LEU 74 CO 0.18 0.28 0.00 -0.26 -0.34 0.00 0.00 178.44 178.30 3dvu h PHE 75 N 0.15 0.84 -0.26 1.25 0.05 -1.31 0.20 116.94 117.85 3dvu h PHE 75 Ca 0.06 -0.14 0.01 0.00 3.82 0.00 0.00 57.97 61.71 3dvu h PHE 75 Cb 0.11 -0.22 -0.01 0.00 2.00 0.00 0.00 35.95 37.83 3dvu h PHE 75 CO -0.03 0.82 0.17 1.15 -0.18 0.00 0.00 178.31 180.24 3dvu h THR 76 N 0.61 1.05 -0.70 -1.55 2.02 -1.12 -2.20 112.91 111.02 3dvu h THR 76 Ca 0.12 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 3dvu h THR 76 Cb 0.49 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 3dvu h THR 76 CO 0.02 0.06 0.39 -1.28 0.37 0.00 0.00 175.52 175.09 3dvu h SER 77 N 0.34 0.87 -0.60 4.18 0.87 -0.64 -1.90 113.55 116.68 3dvu h SER 77 Ca 0.10 -0.09 0.04 0.00 -1.23 0.00 0.00 61.79 60.61 3dvu h SER 77 Cb -0.03 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.68 3dvu h SER 77 CO -0.03 0.71 0.39 0.25 -0.53 0.00 0.00 176.83 177.62 3dvu h LEU 78 N 0.96 0.57 -3.37 2.23 5.85 -0.17 -2.70 115.31 118.69 3dvu h LEU 78 Ca 0.25 -0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.77 3dvu h LEU 78 Cb 0.02 -0.13 -0.11 0.00 0.37 0.00 0.00 40.66 40.81 3dvu h LEU 78 CO -0.04 0.39 -0.07 0.49 -0.34 0.00 0.00 178.44 178.86 3dvu n PHE 79 N -4.47 1.13 -0.06 1.25 3.01 -0.87 -4.74 117.46 112.71 3dvu n PHE 79 Ca 0.07 -1.62 -0.13 0.00 1.01 0.00 0.00 57.45 56.78 3dvu n PHE 79 Cb 0.17 -0.51 -0.06 0.00 -0.01 0.00 0.00 39.48 39.07 3dvu n PHE 79 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 3dvu h VAL 80 N 1.00 1.34 0.08 -4.37 3.04 -1.01 -3.38 116.25 112.96 3dvu h VAL 80 Ca 0.23 -1.41 -0.36 0.00 -1.01 0.00 0.00 66.70 64.16 3dvu h VAL 80 Cb 1.69 1.83 -0.03 0.00 -2.01 0.00 0.00 31.29 32.77 3dvu h VAL 80 CO 0.41 0.42 -2.04 -0.90 -1.01 0.00 0.00 177.57 174.46 3dvu n ASP 81 N -4.44 1.79 -3.47 3.17 3.85 -1.26 -5.04 116.55 111.15 3dvu n ASP 81 Ca -0.06 0.19 -0.13 0.00 -0.71 0.00 0.00 54.79 54.07 3dvu n ASP 81 Cb 0.42 -0.57 -0.03 0.00 -1.35 0.00 0.00 41.12 39.58 3dvu n ASP 81 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3dvu s VAL 82 N -2.56 0.00 -0.11 2.12 0.11 -1.26 -5.15 120.40 113.55 3dvu s VAL 82 Ca -0.21 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 58.87 3dvu s VAL 82 Cb 0.07 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.93 3dvu s VAL 82 CO 0.76 0.00 -0.20 -0.51 -3.33 0.00 0.00 175.10 171.82 3dvu s ILE 83 N -2.74 1.81 0.35 7.04 2.07 -1.26 -4.63 121.20 123.84 3dvu s ILE 83 Ca -0.03 -0.86 0.01 0.00 -1.41 0.00 0.00 60.65 58.36 3dvu s ILE 83 Cb -0.01 -1.60 -0.00 0.00 0.13 0.00 0.00 42.46 40.98 3dvu s ILE 83 CO -0.05 0.50 0.43 0.54 -1.91 0.00 0.00 174.94 174.46 3dvu s ASN 84 N 0.63 1.18 0.12 4.50 2.20 -1.26 -5.05 114.94 117.25 3dvu s ASN 84 Ca -0.13 -1.59 -0.24 0.00 -0.94 0.00 0.00 52.86 49.96 3dvu s ASN 84 Cb -0.16 0.65 -0.07 0.00 -2.00 0.00 0.00 41.25 39.66 3dvu s ASN 84 CO 0.04 -1.25 1.67 0.28 -2.94 0.00 0.00 177.10 174.89 3dvu h SER 85 N 2.10 -0.46 -0.83 3.54 0.02 -2.00 -2.82 113.55 113.10 3dvu h SER 85 Ca -0.27 0.07 0.08 0.00 -0.84 0.00 0.00 61.79 60.82 3dvu h SER 85 Cb 1.24 0.19 -0.07 0.00 0.14 0.00 0.00 62.40 63.90 3dvu h SER 85 CO 0.38 -0.22 0.49 1.23 -1.14 0.00 0.00 176.83 177.57 3dvu h GLY 86 N -0.26 1.27 1.94 -3.77 0.00 -1.98 -1.67 103.07 98.61 3dvu h GLY 86 Ca 0.05 -0.34 -0.12 0.00 0.00 0.00 0.00 47.33 46.92 3dvu h GLY 86 CO -0.15 0.19 -0.54 3.21 0.00 0.00 0.00 176.54 179.24 3dvu h ARG 87 N 0.86 0.07 -0.01 4.80 3.08 -1.96 -1.97 114.38 119.25 3dvu h ARG 87 Ca 0.38 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.28 3dvu h ARG 87 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3dvu h ARG 87 CO -0.21 0.59 -0.55 0.82 -1.07 0.00 0.00 179.97 179.55 3dvu h ILE 88 N 0.05 1.39 -0.03 2.04 2.04 -1.16 -0.14 117.51 121.70 3dvu h ILE 88 Ca -0.00 -1.88 -0.15 0.00 1.00 0.00 0.00 64.86 63.83 3dvu h ILE 88 Cb 0.98 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 3dvu h ILE 88 CO 0.07 0.54 -0.67 0.58 0.00 0.00 0.00 178.15 178.68 3dvu h VAL 89 N 0.03 1.43 -0.10 1.67 2.07 -0.96 -2.60 116.25 117.79 3dvu h VAL 89 Ca -0.00 -2.18 -0.12 0.00 0.82 0.00 0.00 66.70 65.22 3dvu h VAL 89 Cb 0.98 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 3dvu h VAL 89 CO 0.07 0.63 -0.48 1.23 0.02 0.00 0.00 177.57 179.05 3dvu h GLY 90 N 1.71 0.26 0.98 2.17 0.00 -0.69 -0.55 103.07 106.96 3dvu h GLY 90 Ca -0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 3dvu h GLY 90 CO 0.10 0.25 0.17 -2.75 0.00 0.00 0.00 176.54 174.30 3dvu h PHE 91 N 0.20 0.35 -0.03 5.60 3.57 -0.76 -1.31 116.94 124.55 3dvu h PHE 91 Ca 0.01 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.33 3dvu h PHE 91 Cb 0.92 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 3dvu h PHE 91 CO 0.02 0.25 -0.76 0.74 -2.23 0.00 0.00 178.31 176.33 3dvu h PHE 92 N 0.34 0.32 0.00 0.41 0.04 -1.31 -2.98 116.94 113.77 3dvu h PHE 92 Ca 0.10 -0.15 -0.06 0.00 2.80 0.00 0.00 57.97 60.66 3dvu h PHE 92 Cb 0.00 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 3dvu h PHE 92 CO -0.05 0.90 -0.27 0.22 -0.60 0.00 0.00 178.31 178.52 3dvu h ASP 93 N 0.15 0.00 -0.02 2.17 3.58 -0.90 0.61 116.42 122.01 3dvu h ASP 93 Ca -0.03 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 3dvu h ASP 93 Cb 1.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.39 3dvu h ASP 93 CO 0.12 0.27 -0.04 0.58 -2.88 0.00 0.00 179.24 177.29 3dvu h VAL 94 N 0.00 1.44 -0.86 2.25 2.07 -1.21 -1.99 116.25 117.95 3dvu h VAL 94 Ca -0.00 -1.35 0.09 0.00 0.82 0.00 0.00 66.70 66.25 3dvu h VAL 94 Cb 0.84 2.30 -0.06 0.00 -1.52 0.00 0.00 31.29 32.85 3dvu h VAL 94 CO 0.03 0.36 0.56 1.23 0.02 0.00 0.00 177.57 179.77 3dvu h GLY 95 N -0.48 1.22 1.70 2.17 0.00 -1.33 0.18 103.07 106.53 3dvu h GLY 95 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 3dvu h GLY 95 CO 0.01 0.22 -0.30 -0.09 0.00 0.00 0.00 176.54 176.38 3dvu h ARG 96 N 0.87 0.35 -0.51 4.80 2.43 -0.79 -2.74 114.38 118.79 3dvu h ARG 96 Ca 0.39 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 59.34 3dvu h ARG 96 Cb 0.36 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3dvu h ARG 96 CO -0.16 0.62 -0.02 -0.92 -1.51 0.00 0.00 179.97 177.98 3dvu h TYR 97 N 0.31 1.00 -0.64 2.20 3.20 -0.20 -1.12 116.97 121.71 3dvu h TYR 97 Ca 0.04 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.72 3dvu h TYR 97 Cb 0.69 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 3dvu h TYR 97 CO 0.02 0.93 0.36 0.28 -1.64 0.00 0.00 178.16 178.10 3dvu h VAL 98 N 0.77 1.20 -0.19 1.81 2.07 -1.11 0.39 116.25 121.18 3dvu h VAL 98 Ca 0.14 -0.50 -0.20 0.00 0.82 0.00 0.00 66.70 66.96 3dvu h VAL 98 Cb 0.55 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3dvu h VAL 98 CO 0.03 0.22 -0.68 0.00 0.02 0.00 0.00 177.57 177.16 3dvu h GLU 100 N 0.55 0.34 0.00 0.00 5.08 -1.08 -3.39 114.58 116.08 3dvu h GLU 100 Ca -0.02 -0.51 -0.35 0.00 -1.00 0.00 0.00 59.36 57.48 3dvu h GLU 100 Cb 1.29 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.66 3dvu h GLU 100 CO 0.14 1.22 -2.27 0.39 -1.00 0.00 0.00 179.01 177.48 3dvu n GLU 101 N -4.13 0.54 -0.00 2.33 4.71 0.13 -4.83 120.64 119.39 3dvu n GLU 101 Ca -0.13 0.15 -0.01 0.00 -0.01 0.00 0.00 57.16 57.16 3dvu n GLU 101 Cb 0.80 -1.42 -0.00 0.00 -1.01 0.00 0.00 31.44 29.80 3dvu n GLU 101 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3dvu h VAL 102 N -0.19 0.00 -4.30 2.62 2.07 -1.42 -3.48 116.25 111.54 3dvu h VAL 102 Ca -0.52 -0.57 -0.47 0.00 0.82 0.00 0.00 66.70 65.95 3dvu h VAL 102 Cb 1.71 0.00 0.12 0.00 -1.52 0.00 0.00 31.29 31.60 3dvu h VAL 102 CO -0.14 0.00 0.33 -0.76 0.02 0.00 0.00 177.57 177.02 3dvu s LEU 103 N -6.88 2.34 0.06 2.57 1.43 0.64 -5.02 118.68 113.82 3dvu s LEU 103 Ca -0.01 1.10 -0.30 0.00 -1.03 0.00 0.00 54.13 53.89 3dvu s LEU 103 Cb 0.00 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 3dvu s LEU 103 CO 0.03 -2.20 1.08 0.00 0.23 0.00 0.00 176.35 175.49 3dvu s PRO 105 N 0.74 4.61 0.00 0.00 0.02 -1.26 -4.08 135.00 135.03 3dvu s PRO 105 Ca 0.54 1.42 0.00 0.00 0.02 0.00 0.00 61.00 62.98 3dvu s PRO 105 Cb -0.26 -2.92 0.00 0.00 0.02 0.00 0.00 34.50 31.34 3dvu s PRO 105 CO 0.30 0.29 0.00 0.41 -0.33 0.00 0.00 177.00 177.67 3dvu n GLY 106 N 0.81 1.08 3.04 0.52 0.00 0.29 -4.99 105.19 105.95 3dvu n GLY 106 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 3dvu n GLY 106 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dvu s SER 107 N -2.20 1.06 -0.90 1.61 0.15 -1.26 -4.57 113.70 107.60 3dvu s SER 107 Ca 0.00 -0.27 -0.14 0.00 0.70 0.00 0.00 55.95 56.24 3dvu s SER 107 Cb 0.00 -0.08 0.22 0.00 -1.71 0.00 0.00 66.02 64.45 3dvu s SER 107 CO 0.00 0.03 0.88 0.86 1.20 0.00 0.00 173.24 176.22 3dvu s TRP 108 N -0.52 3.78 0.32 3.44 -0.11 -1.26 -4.90 118.94 119.69 3dvu s TRP 108 Ca 0.01 -2.05 -0.04 0.00 1.22 0.00 0.00 56.10 55.23 3dvu s TRP 108 Cb -0.05 -3.89 0.07 0.00 -1.50 0.00 0.00 33.47 28.10 3dvu s TRP 108 CO 0.00 -1.05 0.44 0.25 -4.62 0.00 0.00 176.95 171.97 3dvu n THR 109 N 3.94 0.00 0.21 5.86 -2.24 -1.26 -4.95 114.28 115.83 3dvu n THR 109 Ca 0.17 -0.43 0.08 0.00 -2.27 0.00 0.00 64.05 61.60 3dvu n THR 109 Cb 0.46 -1.60 0.42 0.00 -2.10 0.00 0.00 70.33 67.52 3dvu n THR 109 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3dvu h GLU 110 N 0.00 0.00 0.00 -0.78 4.57 -2.00 -2.79 114.58 113.58 3dvu h GLU 110 Ca -0.14 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 57.89 3dvu h GLU 110 Cb 0.43 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 3dvu h GLU 110 CO 0.12 0.29 -0.73 -0.44 -1.18 0.00 0.00 179.01 177.07 3dvu h ASP 111 N 0.00 0.00 -0.48 1.04 3.32 -1.99 -2.32 116.42 115.99 3dvu h ASP 111 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3dvu h ASP 111 Cb 0.77 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 3dvu h ASP 111 CO 0.04 0.73 0.04 0.45 -1.72 0.00 0.00 179.24 178.78 3dvu h HIS 112 N 0.00 0.88 0.00 4.55 3.86 -1.87 -0.73 115.15 121.85 3dvu h HIS 112 Ca -0.01 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 59.03 3dvu h HIS 112 Cb 1.33 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.56 3dvu h HIS 112 CO 0.00 0.83 -0.17 0.93 0.86 0.00 0.00 177.93 180.37 3dvu h GLU 113 N 0.69 0.00 -0.09 2.45 5.08 -1.41 0.31 114.58 121.60 3dvu h GLU 113 Ca 0.14 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.31 3dvu h GLU 113 Cb 0.44 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.71 3dvu h GLU 113 CO 0.02 0.17 -0.69 1.25 -1.00 0.00 0.00 179.01 178.76 3dvu h LEU 114 N 0.00 0.76 -0.06 1.33 6.46 -0.91 -0.92 115.31 121.97 3dvu h LEU 114 Ca -0.00 -0.67 -0.00 0.00 -0.12 0.00 0.00 57.88 57.09 3dvu h LEU 114 Cb 0.33 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.03 3dvu h LEU 114 CO 0.02 1.31 0.03 0.25 -0.62 0.00 0.00 178.44 179.43 3dvu h LEU 115 N 0.27 0.09 0.03 2.25 6.46 -0.54 -2.13 115.31 121.73 3dvu h LEU 115 Ca -0.06 -0.16 0.02 0.00 -0.12 0.00 0.00 57.88 57.56 3dvu h LEU 115 Cb 1.34 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 41.22 3dvu h LEU 115 CO 0.14 0.22 -0.13 -1.13 -0.62 0.00 0.00 178.44 176.92 3dvu h ASN 116 N -0.05 -0.38 -0.79 1.25 -1.24 -0.38 -1.11 115.58 112.87 3dvu h ASN 116 Ca 0.02 0.05 0.02 0.00 0.71 0.00 0.00 56.30 57.11 3dvu h ASN 116 Cb 0.16 0.15 -0.05 0.00 0.73 0.00 0.00 38.32 39.32 3dvu h ASN 116 CO -0.00 -0.19 0.51 0.44 -1.29 0.00 0.00 177.43 176.90 3dvu h ASP 117 N -0.24 0.86 0.43 1.15 3.32 -1.14 0.79 116.42 121.58 3dvu h ASP 117 Ca 0.04 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3dvu h ASP 117 Cb 0.28 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3dvu h ASP 117 CO -0.11 0.60 -0.23 0.00 -1.72 0.00 0.00 179.24 177.78 3dvu h MET 119 N -0.62 1.07 -0.45 0.00 2.86 -1.02 -1.20 114.93 115.58 3dvu h MET 119 Ca -0.05 -0.27 -0.10 0.00 -2.06 0.00 0.00 59.70 57.22 3dvu h MET 119 Cb 0.49 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 3dvu h MET 119 CO 0.07 0.97 -0.10 1.15 1.06 0.00 0.00 176.91 180.06 3dvu h THR 120 N 1.01 1.27 -0.30 2.22 2.02 -0.77 0.64 112.91 119.00 3dvu h THR 120 Ca 0.21 -1.21 -0.11 0.00 0.77 0.00 0.00 66.41 66.07 3dvu h THR 120 Cb 0.40 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 3dvu h THR 120 CO 0.01 0.41 -0.23 0.45 0.37 0.00 0.00 175.52 176.53 3dvu h HIS 121 N 0.69 0.81 -0.07 3.16 3.86 -1.03 -2.09 115.15 120.49 3dvu h HIS 121 Ca 0.11 -0.23 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 3dvu h HIS 121 Cb 0.64 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.93 3dvu h HIS 121 CO 0.05 0.95 0.01 0.35 0.86 0.00 0.00 177.93 180.15 3dvu h PHE 122 N 0.44 0.13 -0.74 2.45 3.57 -1.17 0.53 116.94 122.15 3dvu h PHE 122 Ca 0.06 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.64 3dvu h PHE 122 Cb 0.79 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.42 3dvu h PHE 122 CO 0.07 0.36 0.37 0.35 -2.23 0.00 0.00 178.31 177.22 3dvu h PHE 123 N -0.14 0.65 0.05 0.41 3.57 -0.89 -1.63 116.94 118.97 3dvu h PHE 123 Ca 0.02 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.43 3dvu h PHE 123 Cb 0.30 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 38.87 3dvu h PHE 123 CO 0.02 0.22 -0.49 0.82 -2.23 0.00 0.00 178.31 176.66 3dvu h ILE 124 N 0.61 1.55 -0.76 1.41 2.04 -1.24 -1.89 117.51 119.23 3dvu h ILE 124 Ca 0.37 -2.25 0.17 0.00 1.00 0.00 0.00 64.86 64.15 3dvu h ILE 124 Cb 0.41 2.99 -0.05 0.00 -0.74 0.00 0.00 36.82 39.43 3dvu h ILE 124 CO -0.28 0.63 0.51 -0.33 0.00 0.00 0.00 178.15 178.68 3dvu h GLU 125 N -0.45 0.29 -0.61 2.37 5.08 0.23 -2.09 114.58 119.39 3dvu h GLU 125 Ca -0.08 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3dvu h GLU 125 Cb 1.30 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3dvu h GLU 125 CO 0.09 0.19 0.00 0.09 -1.00 0.00 0.00 179.01 178.38 3dvu n ASN 126 N -4.45 4.87 -4.12 1.42 3.02 -0.63 -4.96 115.26 110.41 3dvu n ASN 126 Ca 0.15 -2.55 -0.33 0.00 -0.03 0.00 0.00 54.58 51.82 3dvu n ASN 126 Cb 0.62 -0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 39.19 3dvu n ASN 126 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3dvu n ASN 127 N 0.95 -3.08 0.28 6.41 3.02 -0.79 -4.83 115.26 117.22 3dvu n ASN 127 Ca 0.26 -0.97 0.18 0.00 -0.03 0.00 0.00 54.58 54.02 3dvu n ASN 127 Cb 0.94 -3.02 0.86 0.00 -0.61 0.00 0.00 39.78 37.95 3dvu n ASN 127 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3dvu h LEU 128 N -1.67 0.00 -0.11 3.41 4.07 -1.61 -2.89 115.31 116.52 3dvu h LEU 128 Ca -0.60 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.36 3dvu h LEU 128 Cb 1.38 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.12 3dvu h LEU 128 CO 0.74 0.00 0.00 1.15 -1.08 0.00 0.00 178.44 179.25 3dvu n MET 129 N -2.93 0.03 0.09 1.13 0.00 -1.26 -2.75 117.12 111.43 3dvu n MET 129 Ca -0.01 0.28 0.12 0.00 0.00 0.00 0.00 57.70 58.09 3dvu n MET 129 Cb 0.19 -1.56 0.24 0.00 0.00 0.00 0.00 33.22 32.09 3dvu n MET 129 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 175.97 175.06 3dvu h ASN 130 N 0.00 0.00 -1.83 3.17 2.35 -1.89 -3.35 115.58 114.03 3dvu h ASN 130 Ca 0.00 -0.11 -0.64 0.00 -0.55 0.00 0.00 56.30 55.00 3dvu h ASN 130 Cb 0.27 0.00 -0.38 0.00 0.05 0.00 0.00 38.32 38.26 3dvu h ASN 130 CO 0.00 0.06 -0.22 1.41 -1.65 0.00 0.00 177.43 177.03 3dvu n HIS 131 N -2.28 3.42 0.00 1.19 8.25 -1.11 -4.83 115.22 119.86 3dvu n HIS 131 Ca 0.04 -3.10 0.00 0.00 -0.26 0.00 0.00 57.72 54.40 3dvu n HIS 131 Cb 0.45 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.09 3dvu n HIS 131 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dvu n PHE 132 N -0.41 0.00 0.23 4.41 7.35 -1.26 -4.33 117.46 123.46 3dvu n PHE 132 Ca 0.41 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 57.11 3dvu n PHE 132 Cb 0.49 0.00 0.06 0.00 0.35 0.00 0.00 39.48 40.38 3dvu n PHE 132 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 3dvu h PRO 133 N 0.00 0.00 0.00 -7.13 0.11 -1.88 -3.52 132.00 119.58 3dvu h PRO 133 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3dvu h PRO 133 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3dvu h PRO 133 CO 0.00 0.00 0.00 -0.11 -0.21 0.00 0.00 178.00 177.68